SCHEMBL17722364

SCHEMBL17722364

CC(Oc1ccccc1C1CCCC1)C1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 19/20 1.00
▸ ADRA2B P18089 19/20 1.00
▸ ADRA2C P18825 19/20 1.00
▸ HTR1A P08908 7/20 0.90
▸ NISCH Q9Y2I1 4/20 0.65
▸ MAOA P21397 3/20 0.63
▸ MAOB P27338 3/20 0.63
▸ KCNH2 Q12809 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Biphenyline SCHEMBL29519295 0.77 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHMAOA
Lofexidine SCHEMBL3670274 0.74 ADRA2A (0.65) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL10978713 0.74 NISCH (0.67) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL17887853 0.73 ADRA2A (1.00) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL12313576 0.73 ADRA2A (0.58) ADRA2AADRA2BADRA2CHTR1AKCNH2
SCHEMBL17722365 0.72 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHMAOA
Hydrochloric Acid SCHEMBL9654915 0.72 NISCH (0.77) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL3961590 0.71 NISCH (0.75) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL17887785 0.71 ADRA2A (0.71) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL17722363 0.71 ADRA2B (0.76) ADRA2AADRA2BADRA2CHTR1ANISCH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122305-A1 Topical Compositions and Methods of Use Thereof AVON PRODUCTS, INC. 2016-05-05 — — US disclosed
US-20160122305-A1 Topical Compositions and Methods of Use Thereof AVON PRODUCTS, INC. 2016-05-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160122305-A1 Topical Compositions and Methods of Use Thereof TYR, ADRA2C, ADRA2A ADRA2A 3/4885ADRA2B 8/4885ADRA2C 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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